compound 33 [PMID: 19364658]

Ligand id: 8163

Name: compound 33 [PMID: 19364658]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.41
Molecular weight 338.1
XLogP 0.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Classification
Compound class Synthetic organic
IUPAC Name
2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-2-(3-hydroxyphenyl)acetamide
Comments
Compound 33 is a small molecule analogue designed and assessed for inhibitory activity against mitogen activated protein kinase-activated protein kinase 2 (MK2) [1].
Database Links
ChEMBL Ligand CHEMBL511410
GtoPdb PubChem SID 249565843
PubChem CID 25207521
Search Google for chemical match using the InChIKey GPXKVULNYYNGDP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GPXKVULNYYNGDP
Search UniChem for chemical match using the InChIKey GPXKVULNYYNGDP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GPXKVULNYYNGDP